Mrv0541 02241205382D          

 15 12  0  0  0  0            999 V2000
    0.0000   -0.2750    0.0000 Pb  0  0  0  0  0  0  0  0  0  0  0  0
    3.5504   -0.2750    0.0000 Pb  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3375    0.0000 Pb  0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8359    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2648    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
 13  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1331

> <DATABASE_NAME>
t3db

> <SMILES>
O[Pb]O.O[Pb]O.CC(=O)O[Pb]OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/2C2H4O2.4H2O.3Pb/c2*1-2(3)4;;;;;;;/h2*1H3,(H,3,4);4*1H2;;;/q;;;;;;3*+2/p-6

> <INCHI_KEY>
VLOJXAQYHIVPFI-UHFFFAOYSA-H

> <FORMULA>
C4H10O8Pb3

> <MOLECULAR_WEIGHT>
807.7

> <EXACT_MASS>
809.967474846

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
12.443164750455765

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(acetyloxy)plumbyl acetate; bis(plumbanediol)

> <JCHEM_LOGP>
-0.08340000000000006

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.410591373369049

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
23.4322

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
lead acetate (II), trihydrate; bis(plumbanediol)

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1331

> <NAME>
Lead subacetate

> <CAS>
1335-32-6

> <SYNONYMS>
Basic lead acetate; Bis(acetato)dihydroxytrilead; Bis(acetato)tetrahydroxytri-Lead; Bis(acetato)tetrahydroxytrilead; Bis(acetato-kappao)tetrahydroxytri-Lead; Bis(acetato-o)tetrahydroxytri-Lead; Bis(aceto)dihydroxytrilead; Lead monosubacetate; Lead subacetic acid; Monobasic lead acetate; Subacetate lead

> <TYPES>
Inorganic Compound; Lead Compound; Organic Compound; Organometallic; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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